Molecule card · MolClass #43080
17407485
17407485: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17407485Mitochondrial Fusion · compound_name
- MolClass ID
- 43080
- InChIKey
- FQKGHNVZASWYLW-UHFFFAOYSA-N
- Canonical SMILES
- CCCn2nc1cc(ccc1c2(OCC))C(=O)NCCc3ccc(C)cc3
- Standard InChI
- InChI=1S/C22H27N3O2/c1-4-14-25-22(27-5-2)19-11-10-18(15-20(19)24-25)21(26)23-13-12-17-8-6-16(3)7-9-17/h6-11,15H,4-5,12-14H2,1-3H3,(H,23,26)
- Stored Murcko scaffold
- n1[nH]cc2ccc([CH]NCCc3ccccc3)cc12
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.47 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.586
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17407485